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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-08-29 15:49:21 UTC

Update Date

2021-09-26 22:48:55 UTC

HMDB ID

HMDB0242312

Secondary Accession Numbers

None

Metabolite Identification

Common Name

(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide

Description

(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide, also known as 4-AIAH or 4-amidinoindan-1-one 2'-amidinohydrazone, belongs to the class of organic compounds known as indanes. Indanes are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring. Based on a literature review very few articles have been published on (1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide. This compound has been identified in human blood as reported by (PMID: 31557052 ). (1e)-1-{[(diaminomethylidene)amino]imino}-2,3-dihydro-1h-indene-4-carboximidamide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically (1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0242312
     RDKit          3D
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximida...
 31 32  0  0  0  0  0  0  0  0999 V2000
   -3.7820   -1.5796    0.6611 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6791   -0.3155    0.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8601    0.4804    0.2776 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3600    0.2281    0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2023    1.5767   -0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9553    2.1174   -0.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1649    1.3208   -0.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0019   -0.0097   -0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2567   -0.5834    0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0340   -2.0270    0.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3485   -2.3424   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0364   -1.0399    0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2961   -0.8610    0.3286 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220    0.4008    0.4812 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0198    0.7363    0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5104    2.0503    0.3255 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8853   -0.2341   -0.4216 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7119   -2.0196    0.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2281    0.9858    1.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3616    0.5545   -0.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0944    2.2096   -0.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8063    3.1608   -0.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1582    1.7422   -0.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7995   -2.6113   -0.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793   -2.2418    1.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8381   -3.1704    0.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2453   -2.4855   -1.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7635    2.6103   -0.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6293    2.4815    1.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5061   -0.9198   -1.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8887   -0.2148   -0.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  3
 15 16  1  0
 15 17  1  0
  9  4  1  0
 12  8  1  0
  1 18  1  0
  3 19  1  0
  3 20  1  0
  5 21  1  0
  6 22  1  0
  7 23  1  0
 10 24  1  0
 10 25  1  0
 11 26  1  0
 11 27  1  0
 16 28  1  0
 16 29  1  0
 17 30  1  0
 17 31  1  0
M  END


  Mrv1652308292117592D          

 17 18  0  0  0  0            999 V2000
   -0.1435   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -2.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1536   -2.7631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1014   -3.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4507   -4.1608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -3.7192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.3646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.3646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  4  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0242312

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(N)=NN=C1CCC2=C1C=CC=C2C(N)=N

> <INCHI_IDENTIFIER>
InChI=1S/C11H14N6/c12-10(13)8-3-1-2-7-6(8)4-5-9(7)16-17-11(14)15/h1-3H,4-5H2,(H3,12,13)(H4,14,15,17)

> <INCHI_KEY>
CYPGNVSXMAUSJY-UHFFFAOYSA-N

> <FORMULA>
C11H14N6

> <MOLECULAR_WEIGHT>
230.275

> <EXACT_MASS>
230.127994475

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
24.85188559750673

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-{[(diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide

> <ALOGPS_LOGP>
0.15

> <JCHEM_LOGP>
-0.42371406466666683

> <ALOGPS_LOGS>
-3.41

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.176271379199164

> <JCHEM_PKA_STRONGEST_BASIC>
11.290577840901976

> <JCHEM_POLAR_SURFACE_AREA>
126.62999999999998

> <JCHEM_REFRACTIVITY>
77.2992

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.91e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-{[(diaminomethylidene)amino]imino}-2,3-dihydroindene-4-carboximidamide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0242312
     RDKit          3D
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximida...
 31 32  0  0  0  0  0  0  0  0999 V2000
   -3.7820   -1.5796    0.6611 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6791   -0.3155    0.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8601    0.4804    0.2776 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3600    0.2281    0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2023    1.5767   -0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9553    2.1174   -0.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1649    1.3208   -0.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0019   -0.0097   -0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2567   -0.5834    0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0340   -2.0270    0.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3485   -2.3424   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0364   -1.0399    0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2961   -0.8610    0.3286 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220    0.4008    0.4812 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0198    0.7363    0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5104    2.0503    0.3255 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8853   -0.2341   -0.4216 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7119   -2.0196    0.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2281    0.9858    1.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3616    0.5545   -0.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0944    2.2096   -0.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8063    3.1608   -0.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1582    1.7422   -0.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7995   -2.6113   -0.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793   -2.2418    1.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8381   -3.1704    0.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2453   -2.4855   -1.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7635    2.6103   -0.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6293    2.4815    1.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5061   -0.9198   -1.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8887   -0.2148   -0.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  3
 15 16  1  0
 15 17  1  0
  9  4  1  0
 12  8  1  0
  1 18  1  0
  3 19  1  0
  3 20  1  0
  5 21  1  0
  6 22  1  0
  7 23  1  0
 10 24  1  0
 10 25  1  0
 11 26  1  0
 11 27  1  0
 16 28  1  0
 16 29  1  0
 17 30  1  0
 17 31  1  0
M  END

HEADER    PROTEIN                                 29-AUG-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-AUG-21         0                                  
HETATM    1  C   UNK     0      -0.268  -0.057   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.173  -1.303   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.268  -2.549   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0      -0.744  -4.013   0.000  0.00  0.00           N+0
HETATM    5  N   UNK     0       0.287  -5.158   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      -0.189  -6.622   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       0.841  -7.767   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0      -1.696  -6.943   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       1.197  -2.073   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.197  -0.533   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.530   0.237   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.864  -0.533   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.864  -2.073   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.530  -2.843   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.530   1.777   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0       1.197   2.547   0.000  0.00  0.00           N+0
HETATM   17  N   UNK     0       3.864   2.547   0.000  0.00  0.00           N+0
CONECT    1    2   10                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    9                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    3   10   14                                                  
CONECT   10    9    1   11                                                  
CONECT   11   10   12   15                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13    9                                                       
CONECT   15   11   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   36    0
END

COMPND    HMDB0242312
HETATM    1  N1  UNL     1      -3.782  -1.580   0.661  1.00  0.00           N  
HETATM    2  C1  UNL     1      -3.679  -0.315   0.355  1.00  0.00           C  
HETATM    3  N2  UNL     1      -4.860   0.480   0.278  1.00  0.00           N  
HETATM    4  C2  UNL     1      -2.360   0.228   0.104  1.00  0.00           C  
HETATM    5  C3  UNL     1      -2.202   1.577  -0.217  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.955   2.117  -0.453  1.00  0.00           C  
HETATM    7  C5  UNL     1       0.165   1.321  -0.373  1.00  0.00           C  
HETATM    8  C6  UNL     1      -0.002  -0.010  -0.056  1.00  0.00           C  
HETATM    9  C7  UNL     1      -1.257  -0.583   0.188  1.00  0.00           C  
HETATM   10  C8  UNL     1      -1.034  -2.027   0.492  1.00  0.00           C  
HETATM   11  C9  UNL     1       0.348  -2.342  -0.094  1.00  0.00           C  
HETATM   12  C10 UNL     1       1.036  -1.040   0.089  1.00  0.00           C  
HETATM   13  N3  UNL     1       2.296  -0.861   0.329  1.00  0.00           N  
HETATM   14  N4  UNL     1       2.822   0.401   0.481  1.00  0.00           N  
HETATM   15  C11 UNL     1       4.020   0.736   0.146  1.00  0.00           C  
HETATM   16  N5  UNL     1       4.510   2.050   0.326  1.00  0.00           N  
HETATM   17  N6  UNL     1       4.885  -0.234  -0.422  1.00  0.00           N  
HETATM   18  H1  UNL     1      -4.712  -2.020   0.851  1.00  0.00           H  
HETATM   19  H2  UNL     1      -5.228   0.986   1.101  1.00  0.00           H  
HETATM   20  H3  UNL     1      -5.362   0.555  -0.623  1.00  0.00           H  
HETATM   21  H4  UNL     1      -3.094   2.210  -0.280  1.00  0.00           H  
HETATM   22  H5  UNL     1      -0.806   3.161  -0.704  1.00  0.00           H  
HETATM   23  H6  UNL     1       1.158   1.742  -0.559  1.00  0.00           H  
HETATM   24  H7  UNL     1      -1.799  -2.611  -0.058  1.00  0.00           H  
HETATM   25  H8  UNL     1      -0.979  -2.242   1.562  1.00  0.00           H  
HETATM   26  H9  UNL     1       0.838  -3.170   0.414  1.00  0.00           H  
HETATM   27  H10 UNL     1       0.245  -2.486  -1.197  1.00  0.00           H  
HETATM   28  H11 UNL     1       4.763   2.610  -0.510  1.00  0.00           H  
HETATM   29  H12 UNL     1       4.629   2.482   1.258  1.00  0.00           H  
HETATM   30  H13 UNL     1       4.506  -0.920  -1.113  1.00  0.00           H  
HETATM   31  H14 UNL     1       5.889  -0.215  -0.111  1.00  0.00           H  
CONECT    1    2    2   18
CONECT    2    3    4
CONECT    3   19   20
CONECT    4    5    5    9
CONECT    5    6   21
CONECT    6    7    7   22
CONECT    7    8   23
CONECT    8    9    9   12
CONECT    9   10
CONECT   10   11   24   25
CONECT   11   12   26   27
CONECT   12   13   13
CONECT   13   14
CONECT   14   15   15
CONECT   15   16   17
CONECT   16   28   29
CONECT   17   30   31
END

HMDB0242312
     RDKit          3D
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximida...
 31 32  0  0  0  0  0  0  0  0999 V2000
   -3.7820   -1.5796    0.6611 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6791   -0.3155    0.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8601    0.4804    0.2776 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3600    0.2281    0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2023    1.5767   -0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9553    2.1174   -0.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1649    1.3208   -0.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0019   -0.0097   -0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2567   -0.5834    0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0340   -2.0270    0.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3485   -2.3424   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0364   -1.0399    0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2961   -0.8610    0.3286 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220    0.4008    0.4812 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0198    0.7363    0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5104    2.0503    0.3255 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8853   -0.2341   -0.4216 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7119   -2.0196    0.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2281    0.9858    1.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3616    0.5545   -0.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0944    2.2096   -0.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8063    3.1608   -0.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1582    1.7422   -0.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7995   -2.6113   -0.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793   -2.2418    1.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8381   -3.1704    0.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2453   -2.4855   -1.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7635    2.6103   -0.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6293    2.4815    1.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5061   -0.9198   -1.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8887   -0.2148   -0.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  3
 15 16  1  0
 15 17  1  0
  9  4  1  0
 12  8  1  0
  1 18  1  0
  3 19  1  0
  3 20  1  0
  5 21  1  0
  6 22  1  0
  7 23  1  0
 10 24  1  0
 10 25  1  0
 11 26  1  0
 11 27  1  0
 16 28  1  0
 16 29  1  0
 17 30  1  0
 17 31  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
4-AIAH	HMDB
4-Amidinoindan-1-one 2'-amidinohydrazone	HMDB
SAM 486a	HMDB
SAM486a	HMDB

Chemical Formula

C₁₁H₁₄N₆

Average Molecular Weight

230.275

Monoisotopic Molecular Weight

230.127994475

IUPAC Name

1-{[(diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide

Traditional Name

1-{[(diaminomethylidene)amino]imino}-2,3-dihydroindene-4-carboximidamide

CAS Registry Number

Not Available

SMILES

NC(N)=NN=C1CCC2=C1C=CC=C2C(N)=N

InChI Identifier

InChI=1S/C11H14N6/c12-10(13)8-3-1-2-7-6(8)4-5-9(7)16-17-11(14)15/h1-3H,4-5H2,(H3,12,13)(H4,14,15,17)

InChI Key

CYPGNVSXMAUSJY-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as indanes. Indanes are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Indanes

Sub Class

Not Available

Direct Parent

Indanes

Alternative Parents

Substituents

Indane
Guanidine
Carboximidamide
Carboxylic acid amidine
Amidine
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Organonitrogen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	0.15	ALOGPS
logP	-0.42	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	19.18	ChemAxon
pKa (Strongest Basic)	11.29	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	126.63 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	77.3 m³·mol⁻¹	ChemAxon
Polarizability	24.85 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	150.398	30932474
DeepCCS	[M-H]-	148.018	30932474
DeepCCS	[M-2H]-	181.844	30932474
DeepCCS	[M+Na]+	156.543	30932474

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022.	0.96 minutes	32390414
Predicted by Siyang on May 30, 2022	9.9148 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	4.82 minutes	32390414

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,1TMS,isomer #1	C[Si](C)(C)NC(N)=NN=C1CCC2=C(C(=N)N)C=CC=C12	2749.0	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,1TMS,isomer #1	C[Si](C)(C)NC(N)=NN=C1CCC2=C(C(=N)N)C=CC=C12	2456.6	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,1TMS,isomer #1	C[Si](C)(C)NC(N)=NN=C1CCC2=C(C(=N)N)C=CC=C12	5107.8	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,1TMS,isomer #2	C[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N)N	2738.2	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,1TMS,isomer #2	C[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N)N	2475.9	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,1TMS,isomer #2	C[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N)N	5110.9	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,1TMS,isomer #3	C[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N)N	2637.7	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,1TMS,isomer #3	C[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N)N	2411.1	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,1TMS,isomer #3	C[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N)N	5089.8	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TMS,isomer #1	C[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N)C=CC=C12)N[Si](C)(C)C	2829.9	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TMS,isomer #1	C[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N)C=CC=C12)N[Si](C)(C)C	2471.0	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TMS,isomer #1	C[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N)C=CC=C12)N[Si](C)(C)C	4948.0	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TMS,isomer #2	C[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C	2754.1	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TMS,isomer #2	C[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C	2570.6	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TMS,isomer #2	C[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C	5038.4	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TMS,isomer #3	C[Si](C)(C)N(C(N)=NN=C1CCC2=C(C(=N)N)C=CC=C12)[Si](C)(C)C	2825.3	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TMS,isomer #3	C[Si](C)(C)N(C(N)=NN=C1CCC2=C(C(=N)N)C=CC=C12)[Si](C)(C)C	2611.5	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TMS,isomer #3	C[Si](C)(C)N(C(N)=NN=C1CCC2=C(C(=N)N)C=CC=C12)[Si](C)(C)C	5094.7	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TMS,isomer #4	C[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C	2638.9	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TMS,isomer #4	C[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C	2520.9	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TMS,isomer #4	C[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C	5058.1	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TMS,isomer #5	C[Si](C)(C)N(C(=N)C1=CC=CC2=C1CCC2=NN=C(N)N)[Si](C)(C)C	2738.5	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TMS,isomer #5	C[Si](C)(C)N(C(=N)C1=CC=CC2=C1CCC2=NN=C(N)N)[Si](C)(C)C	2617.4	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TMS,isomer #5	C[Si](C)(C)N(C(=N)C1=CC=CC2=C1CCC2=NN=C(N)N)[Si](C)(C)C	5182.4	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TMS,isomer #6	C[Si](C)(C)N=C(N[Si](C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N)N	2602.2	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TMS,isomer #6	C[Si](C)(C)N=C(N[Si](C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N)N	2515.9	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TMS,isomer #6	C[Si](C)(C)N=C(N[Si](C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N)N	4987.9	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #1	C[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N[Si](C)(C)C	2801.9	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #1	C[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N[Si](C)(C)C	2551.9	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #1	C[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N[Si](C)(C)C	4787.7	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #2	C[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N)C=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	2815.1	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #2	C[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N)C=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	2645.4	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #2	C[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N)C=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	4577.8	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #3	C[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N[Si](C)(C)C	2704.9	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #3	C[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N[Si](C)(C)C	2523.8	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #3	C[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N[Si](C)(C)C	4848.1	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #4	C[Si](C)(C)NC(N)=NN=C1CCC2=C(C(=N)N([Si](C)(C)C)[Si](C)(C)C)C=CC=C12	2769.4	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #4	C[Si](C)(C)NC(N)=NN=C1CCC2=C(C(=N)N([Si](C)(C)C)[Si](C)(C)C)C=CC=C12	2701.8	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #4	C[Si](C)(C)NC(N)=NN=C1CCC2=C(C(=N)N([Si](C)(C)C)[Si](C)(C)C)C=CC=C12	5049.3	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #5	C[Si](C)(C)N=C(N[Si](C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C	2605.6	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #5	C[Si](C)(C)N=C(N[Si](C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C	2601.6	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #5	C[Si](C)(C)N=C(N[Si](C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C	4924.0	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #6	C[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C)[Si](C)(C)C	2829.0	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #6	C[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C)[Si](C)(C)C	2723.3	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #6	C[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C)[Si](C)(C)C	4912.9	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #7	C[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C)[Si](C)(C)C	2680.3	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #7	C[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C)[Si](C)(C)C	2649.3	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #7	C[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C)[Si](C)(C)C	5038.2	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #8	C[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C	2632.9	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #8	C[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C	2655.1	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TMS,isomer #8	C[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N)N)N([Si](C)(C)C)[Si](C)(C)C	4940.1	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #1	C[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N([Si](C)(C)C)[Si](C)(C)C)C=CC=C12)N[Si](C)(C)C	2840.2	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #1	C[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N([Si](C)(C)C)[Si](C)(C)C)C=CC=C12)N[Si](C)(C)C	2648.7	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #1	C[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N([Si](C)(C)C)[Si](C)(C)C)C=CC=C12)N[Si](C)(C)C	4633.0	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #2	C[Si](C)(C)N=C(N[Si](C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N[Si](C)(C)C	2669.0	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #2	C[Si](C)(C)N=C(N[Si](C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N[Si](C)(C)C	2612.3	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #2	C[Si](C)(C)N=C(N[Si](C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N[Si](C)(C)C	4587.6	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #3	C[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2841.6	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #3	C[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2725.5	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #3	C[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4253.4	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #4	C[Si](C)(C)N(C(=NN=C1CCC2=C(C(=N)N)C=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2838.4	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #4	C[Si](C)(C)N(C(=NN=C1CCC2=C(C(=N)N)C=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2826.0	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #4	C[Si](C)(C)N(C(=NN=C1CCC2=C(C(=N)N)C=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4151.1	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #5	C[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2699.4	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #5	C[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2678.6	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #5	C[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4496.5	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #6	C[Si](C)(C)N(C(=N)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2859.0	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #6	C[Si](C)(C)N(C(=N)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2854.0	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #6	C[Si](C)(C)N(C(=N)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4858.4	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #7	C[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2657.2	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #7	C[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2706.1	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #7	C[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4794.3	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #8	C[Si](C)(C)N=C(N[Si](C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C)[Si](C)(C)C	2661.4	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #8	C[Si](C)(C)N=C(N[Si](C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C)[Si](C)(C)C	2721.7	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TMS,isomer #8	C[Si](C)(C)N=C(N[Si](C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C)[Si](C)(C)C	4762.3	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TMS,isomer #1	C[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N([Si](C)(C)C)[Si](C)(C)C)C=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	2865.1	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TMS,isomer #1	C[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N([Si](C)(C)C)[Si](C)(C)C)C=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	2818.7	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TMS,isomer #1	C[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N([Si](C)(C)C)[Si](C)(C)C)C=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	4139.0	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TMS,isomer #2	C[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2748.1	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TMS,isomer #2	C[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2694.8	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TMS,isomer #2	C[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4389.0	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TMS,isomer #3	C[Si](C)(C)N=C(N[Si](C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2714.7	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TMS,isomer #3	C[Si](C)(C)N=C(N[Si](C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2751.2	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TMS,isomer #3	C[Si](C)(C)N=C(N[Si](C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4094.6	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TMS,isomer #4	C[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2890.9	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TMS,isomer #4	C[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2905.7	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TMS,isomer #4	C[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3682.1	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TMS,isomer #5	C[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2770.0	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TMS,isomer #5	C[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2857.2	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TMS,isomer #5	C[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4114.1	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TMS,isomer #6	C[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2733.7	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TMS,isomer #6	C[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2823.9	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TMS,isomer #6	C[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4646.2	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,6TMS,isomer #1	C[Si](C)(C)N(C(=N)C1=CC=CC2=C1CCC2=NN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2935.3	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,6TMS,isomer #1	C[Si](C)(C)N(C(=N)C1=CC=CC2=C1CCC2=NN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2994.1	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,6TMS,isomer #1	C[Si](C)(C)N(C(=N)C1=CC=CC2=C1CCC2=NN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3572.5	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,6TMS,isomer #2	C[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2769.5	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,6TMS,isomer #2	C[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2847.1	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,6TMS,isomer #2	C[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3874.5	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,6TMS,isomer #3	C[Si](C)(C)N=C(N[Si](C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2791.8	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,6TMS,isomer #3	C[Si](C)(C)N=C(N[Si](C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2932.7	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,6TMS,isomer #3	C[Si](C)(C)N=C(N[Si](C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3548.3	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,7TMS,isomer #1	C[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2841.4	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,7TMS,isomer #1	C[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3036.0	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,7TMS,isomer #1	C[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3308.5	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(N)=NN=C1CCC2=C(C(=N)N)C=CC=C12	2986.3	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(N)=NN=C1CCC2=C(C(=N)N)C=CC=C12	2673.5	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(N)=NN=C1CCC2=C(C(=N)N)C=CC=C12	5178.6	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N)N	2960.5	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N)N	2707.9	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N)N	5168.6	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N)N	2867.9	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N)N	2619.1	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N)N	5181.1	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N)C=CC=C12)N[Si](C)(C)C(C)(C)C	3282.2	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N)C=CC=C12)N[Si](C)(C)C(C)(C)C	2944.3	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N)C=CC=C12)N[Si](C)(C)C(C)(C)C	4852.2	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C(C)(C)C	3176.3	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C(C)(C)C	3033.9	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C(C)(C)C	5094.4	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C(N)=NN=C1CCC2=C(C(=N)N)C=CC=C12)[Si](C)(C)C(C)(C)C	3306.7	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C(N)=NN=C1CCC2=C(C(=N)N)C=CC=C12)[Si](C)(C)C(C)(C)C	3045.6	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C(N)=NN=C1CCC2=C(C(=N)N)C=CC=C12)[Si](C)(C)C(C)(C)C	5145.3	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C(C)(C)C	3056.8	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C(C)(C)C	2943.0	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C(C)(C)C	5166.0	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=N)C1=CC=CC2=C1CCC2=NN=C(N)N)[Si](C)(C)C(C)(C)C	3167.0	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=N)C1=CC=CC2=C1CCC2=NN=C(N)N)[Si](C)(C)C(C)(C)C	3080.0	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=N)C1=CC=CC2=C1CCC2=NN=C(N)N)[Si](C)(C)C(C)(C)C	5210.7	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N)N	3011.7	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N)N	2968.3	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N)N	5048.6	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3377.1	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3220.1	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4674.8	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N)C=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3468.6	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N)C=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3304.8	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N)C=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4514.9	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3292.6	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3158.4	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4815.6	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(N)=NN=C1CCC2=C(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C12	3347.8	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(N)=NN=C1CCC2=C(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C12	3343.6	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(N)=NN=C1CCC2=C(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C12	5065.9	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C(C)(C)C	3150.4	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C(C)(C)C	3240.5	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C(C)(C)C	5008.0	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3440.1	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3369.8	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4938.6	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3287.8	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3271.6	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5131.8	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3208.3	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3299.9	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4981.3	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C12)N[Si](C)(C)C(C)(C)C	3581.7	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C12)N[Si](C)(C)C(C)(C)C	3452.0	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C12)N[Si](C)(C)C(C)(C)C	4612.3	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3365.3	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3409.4	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4574.4	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3558.1	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3555.4	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4259.2	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=NN=C1CCC2=C(C(=N)N)C=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3670.0	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=NN=C1CCC2=C(C(=N)N)C=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3599.7	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=NN=C1CCC2=C(C(=N)N)C=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4131.0	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3434.6	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3482.7	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4525.9	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(=N)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3586.9	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(=N)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3610.2	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(=N)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4941.4	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3365.9	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3481.6	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4945.1	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3387.0	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3517.5	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4901.1	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3722.8	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3774.7	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=NN=C1CCC2=C(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4174.2	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3601.0	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3636.5	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4411.7	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3531.1	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3723.0	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)C1=CC=CC2=C1CCC2=NN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4163.9	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3765.8	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3838.5	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=N)C1=CC=CC2=C1CCC2=NN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3835.4	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3669.9	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3785.6	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N)C1=CC=CC2=C1CCC2=NN=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4201.8	Standard polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3597.3	Semi standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3746.5	Standard non polar	33892256
(1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(C1=CC=CC2=C1CCC2=NN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4846.3	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - (1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide GC-MS (Non-derivatized) - 70eV, Positive	splash10-052g-9840000000-b6cda44ad033b227ea18	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide 10V, Positive-QTOF	splash10-03di-0090000000-00b203cf1d83968cfbc7	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide 20V, Positive-QTOF	splash10-06r6-0930000000-582b70142e25e7f22fa4	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide 40V, Positive-QTOF	splash10-0006-1900000000-2ae2dc5b26a1f43be7bb	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide 10V, Negative-QTOF	splash10-0570-0970000000-f395965202fb8266243a	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide 20V, Negative-QTOF	splash10-0076-3900000000-336c4e41d4a8376b2bb4	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide 40V, Negative-QTOF	splash10-0006-4900000000-d8ec81cd1c1cdb56b58e	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-12	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

110333

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

123782

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for (1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide (HMDB0242312)

MOL for HMDB0242312 ((1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide)

3D MOL for HMDB0242312 ((1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide)

3D SDF for HMDB0242312 ((1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide)

3D-SDF for HMDB0242312 ((1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide)

PDB for HMDB0242312 ((1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide)

3D PDB for HMDB0242312 ((1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide)

SMILES for HMDB0242312 ((1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide)

INCHI for HMDB0242312 ((1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide)

Structure for HMDB0242312 ((1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide)

3D Structure for HMDB0242312 ((1E)-1-{[(Diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra